ChemSpider 2D Image | (2S)-Fluoro(tetrahydro-2H-pyran-4-yloxy)acetic acid | C7H11FO4

(2S)-Fluoro(tetrahydro-2H-pyran-4-yloxy)acetic acid

  • Molecular FormulaC7H11FO4
  • Average mass178.158 Da
  • Monoisotopic mass178.064133 Da
  • ChemSpider ID96796381
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-Fluor(tetrahydro-2H-pyran-4-yloxy)essigsäure [German] [ACD/IUPAC Name]
(2S)-Fluoro(tetrahydro-2H-pyran-4-yloxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-fluoro-2-[(tetrahydro-2H-pyran-4-yl)oxy]-, (2S)- [ACD/Index Name]
Acide (2S)-fluoro(tétrahydro-2H-pyran-4-yloxy)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 332.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 154.6±27.9 °C
Index of Refraction: 1.451
Molar Refractivity: 37.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 139.7±5.0 cm3

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